10967/222 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for algae toxicity of benzene derivatives. Q13-32-0028. Molcode Ltd., 2009.

Compound

ID:78
Name:4-methoxyphenol
Description:
Labels:
CAS:150-76-5
InChi Code:InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

Properties

pEC50: Algal toxicity as log(1/EC50) [mM]

ValueSource or prediction
-0.97

experimental value

-1.018

QSAR: Model for algal toxicity (Test set)